5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol

C11H20N4O — CID 66054145

IUPAC5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccn1C
InChIInChI=1S/C11H20N4O/c1-13(2)7-9-6-10(16)8-15(9)11-12-4-5-14(11)3/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyVWGNVYGRLLMQBS-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.08
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol (PubChem CID 66054145) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
PubChem CID66054145
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccn1C
InChIInChI=1S/C11H20N4O/c1-13(2)7-9-6-10(16)8-15(9)11-12-4-5-14(11)3/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyVWGNVYGRLLMQBS-UHFFFAOYSA-N
XLogP-0.08
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol (CID 66054145) is 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nccn1C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
The InChIKey is VWGNVYGRLLMQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-13(2)7-9-6-10(16)8-15(9)11-12-4-5-14(11)3/h4-5,9-10,16H,6-8H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol has a molecular weight of 224.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 66054145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).